Geometry & MOs

Info

ID:	394212
PubChem CID:	135022538
Reduced:	BrNSO2H12C17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	429.03981
ΔH_f, kcal/mol:	5.69
Dipole, Da:	5.46
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-5-(4-tert-butylphenyl)sulfonylphenyl]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C3=CC=CC=N3

DOS

IR

Vibrations